CID 164371

134999-77-2

Structural Information

Molecular Formula
C21H17N3O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCOC3=NC=NC4=C3C=CC=N4
InChI
InChI=1S/C21H17N3O/c1-2-5-17(6-3-1)18-10-8-16(9-11-18)12-14-25-21-19-7-4-13-22-20(19)23-15-24-21/h1-11,13,15H,12,14H2
InChIKey
HFWVGRNXMXXHFW-UHFFFAOYSA-N
Compound name
4-[2-(4-phenylphenyl)ethoxy]pyrido[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

327.13718 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14446 179.4
[M+Na]+ 350.12640 187.2
[M-H]- 326.12990 185.2
[M+NH4]+ 345.17100 189.1
[M+K]+ 366.10034 179.7
[M+H-H2O]+ 310.13444 166.6
[M+HCOO]- 372.13538 198.0
[M+CH3COO]- 386.15103 188.9
[M+Na-2H]- 348.11185 187.6
[M]+ 327.13663 179.9
[M]- 327.13773 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe